Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50298915'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50298915 (CHEMBL572860 | N-Cycloheptyl-1-(2,4-difluorophenyl...) Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(F)cc1F)C(=O)NC1CCCCCC1 |(27.65,-39.95,;27.02,-38.54,;27.79,-37.22,;26.76,-36.06,;25.36,-36.7,;24.02,-35.93,;25.51,-38.22,;24.37,-39.25,;22.87,-38.93,;22.24,-37.52,;22.1,-40.27,;23.12,-41.41,;24.53,-40.79,;25.87,-41.56,;27.19,-40.79,;28.53,-41.56,;28.53,-43.1,;29.87,-43.87,;27.19,-43.87,;25.87,-43.1,;24.53,-43.87,;20.56,-40.43,;19.66,-39.19,;19.94,-41.84,;18.38,-42.01,;17.88,-43.44,;16.43,-43.94,;15.13,-43.11,;14.97,-41.59,;16.06,-40.5,;17.61,-40.68,)| Show InChI InChI=1S/C24H28F2N4O/c1-15-10-11-16(2)29(15)24-17(3)22(23(31)27-19-8-6-4-5-7-9-19)28-30(24)21-13-12-18(25)14-20(21)26/h10-14,19H,4-9H2,1-3H3,(H,27,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK cells				Bioorg Med Chem 17: 5549-64 (2009) Article DOI: 10.1016/j.bmc.2009.06.027 BindingDB Entry DOI: 10.7270/Q2XK8GHD
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